UCSF

ZINC09461721

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.99 11.61 -67.08 0 9 -1 118 487.488 8
Lo Low (pH 4.5-6) 3.99 10.73 -21.09 1 9 0 115 488.496 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )